cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride

C26H23Cl2NTi — CID 87862997

IUPACcyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-n3c4c(c5ccccc53)CCCC4)cc2c1
InChIInChI=1S/C21H18N.C5H5.2ClH.Ti/c1-2-8-16-14-17(13-15(16)7-1)22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22;1-2-4-5-3-1;;;/h1-3,5,7-9,11,13-14H,4,6,10,12H2;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyWFXFGSODPQOVGG-UHFFFAOYSA-L
MW468.25 g/mol
LogP0.69
Rot. Bonds1

About cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride

cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride (PubChem CID 87862997) has the molecular formula C26H23Cl2NTi and a molecular weight of 468.25 g/mol. Its IUPAC name is cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride
PubChem CID87862997
Molecular FormulaC26H23Cl2NTi
Molecular Weight468.25 g/mol
Exact Mass467.07
IUPAC Namecyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-n3c4c(c5ccccc53)CCCC4)cc2c1
InChIInChI=1S/C21H18N.C5H5.2ClH.Ti/c1-2-8-16-14-17(13-15(16)7-1)22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22;1-2-4-5-3-1;;;/h1-3,5,7-9,11,13-14H,4,6,10,12H2;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyWFXFGSODPQOVGG-UHFFFAOYSA-L
XLogP0.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.25
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride (CID 87862997) is cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride is [C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-n3c4c(c5ccccc53)CCCC4)cc2c1.
What is the InChIKey of cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride?
The InChIKey is WFXFGSODPQOVGG-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H18N.C5H5.2ClH.Ti/c1-2-8-16-14-17(13-15(16)7-1)22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22;1-2-4-5-3-1;;;/h1-3,5,7-9,11,13-14H,4,6,10,12H2;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride?
cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride has a molecular weight of 468.25 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride is sourced from PubChem (CID 87862997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).